SCHEMBL8635182

SCHEMBL8635182

COc1c(CCC(=O)N2CCNCC2)cc(C)cc1C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
KCNH2 Q12809 3/20 0.39
PKM P14618 1/20 0.38
HSPA5 P11021 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR4 P46093 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8606860 0.90 GAA (0.48) GAAKCNH2PKMHSPA5POLB
SCHEMBL8608650 0.86 GAA (0.68) GAAKCNH2HSPA5POLBMEN1
SCHEMBL8608245 0.84 GAA (0.60) GAAKCNH2PKMKDM4EPOLB
SCHEMBL8608187 0.83 GAA (0.58) GAAKCNH2PKMKDM4EPOLB
SCHEMBL8607276 0.83 GAA (0.58) GAAKCNH2MEN1KMT2AALDH1A1
SCHEMBL8608183 0.82 GAA (0.54) GAAKCNH2PKMKDM4EPOLB
SCHEMBL7792834 0.78 NPSR1 (0.45) HSPA5POLBCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8605983 0.77 PKM (0.47) GAAKCNH2PKMMEN1KMT2A
SCHEMBL8609160 0.77 GAA (0.49) GAAKCNH2PKMKMT2ASMN1; SMN2
SCHEMBL8607305 0.76 GAA (0.54) GAAHSPA5POLBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed